Day: April 18, 2022

Computed Properties of C4H7BrO2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 2-Bromomethyl-1,3-dioxolane, is researched, Molecular C4H7BrO2, CAS is 4360-63-8, about Iron-catalysed allylation-hydrogenation sequences as masked alkyl-alkyl cross-couplings. Author is Bernauer, Josef; Wu, Guojiao; Jacobi von Wangelin, Axel.

An iron-catalyzed allylation of organomagnesium reagents (alkyl, aryl) with simple allyl acetates proceeds under mild conditions (Fe(OAc)2 or Fe(acac)2, Et2O, r.t.) to furnish various alkene and styrene derivatives Mechanistic studies indicate the operation of a homotopic catalyst. The sequential combination of such iron-catalyzed allylation with an iron-catalyzed hydrogenation results in overall C(sp3)-C(sp3)-bond formation that constitutes an attractive alternative to challenging direct cross-coupling protocols with alkyl halides.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Biosynthesis of penicillins. VI. N-2-Hydroxyethyl amides of some polycyclic and heterocyclic acetic acids as precursors》. Authors are Jones, Reuben G.; Soper, Quentin F.; Behrens, Otto K.; Corse, Joseph W..The article about the compound:2-Bromo-6-(bromomethyl)naphthalenecas:305798-02-1,SMILESS:BrCC1=CC2=CC=C(Br)C=C2C=C1).Category: dioxole. Through the article, more information about this compound (cas:305798-02-1) is conveyed.

2,6-MeC10H6NH2 (78 g.) in 80 mL. concentrated HCl and 200 mL. H2O at 0°, treated at 5° with 35 g. NaNO2 in 50 mL. H2O and, after 0.5 h., with 130 g. ice-cold 42% HBF4, gives 90% of the 2-diazonium fluoroborate, decomposition of which yields 69% 2-methyl-6-fluoronaphthalene (I), m. 77°. I (40 g.) at 210°, treated (15 min.) with 40 g. Br (with illumination with a 100-w. lamp), gives 82% 2-(bromomethyl)-6-fluoronaphthalene (II), b2 125-30°, m. 53°. II (48 g.), added to a refluxing solution of 30 g. KCN in 60 mL. H2O and 200 mL. EtOH, the EtOH removed after refluxing 4 h., 500 mL. H2O added, the solution extracted with ether, and the residue from the ether boiled 5 h. with 40 g. KOH in 40 mL. H2O and 200 mL. EtOH, gives 74% 6-fluoro-2-naphthaleneacetic acid, m. 138-9° (Me ester, b2 163-6°, m. 48-9°). 2,6-MeC10H6NH2 (63 g.) in 100 mL. H2O and 700 g. 48% HBr, treated (3-4 h.) at 5° with 45 g. NaNO2 in 75 mL. H2O and the diazonium solution poured (10 min.) into 170 g. CuBr in 800 mL. 48% HBr at 70-80°, gives 40% 6-bromo-2-methylnaphthalene (III), m. 142° III yields 80% 6-bromo-2-(bromomethyl)naphthalene, m. 124-5° this gives 69% 6-bromo-2-naphthaleneacetic acid, m. 175-6° (Me ester, b2 187-93°, m. 67-9°). 3,2-ClC10H6CHO (32.5 g.), 35 g. hippuric acid, 14.5 g. anhydrous AcONa, and 50 mL. Ac2O, heated on the steam bath 1 h., give 75% 2-phenyl-4-(3-chloro-2-naphthylmethylene)-5(4H)-oxazolone (IV), bright yellow, m. 192° 40 g. IV in 200 mL. 10% NaOH, refluxed 9 h., the mixture diluted to 1500 mL. with H2O, washed with ether, the aqueous solution treated with 20 mL. 12.5 N NaOH and 15 mL. 30% H2O2, allowed to stand overnight, the filtrate acidified with HCl, extracted with ether-C6H6, and the residue esterified, gives 37% Me 3-chloro-2-naphthaleneacetate, b2 163-5°, m. 49-50° the free acid m. 193-4°. 6,2-MeOC10H6Ac (100 g.), 25.5 g. S, and 87 g. morpholine, heated 18 h. at 140°, part of the morpholine removed in vacuo, 250 mL. AcOH and 350 mL. concentrated HCl added, and the mixture refluxed 24 h., give 67% 6-methoxy-2-naphthaleneacetic acid, m. 203-5° (Me ester, b1 192-3°, m. 86°, 73%). 5,6,7,8-Tetrahydro-2-acetonaphthone (50 g.), 13 g. S, and 40 mL. morpholine, refluxed overnight, 400 mL. concentrated HCl and 300 mL. H2O added, and the mixture again refluxed overnight, followed by esterification with EtOH and H2SO4, give Et 5,6,7,8-tetrahydro-2-naphthaleneacetate, b0.5 140-3°. 2-Acetylphenanthrene (13.2 g.), 3.2 g. S, and 10.5 g. morpholine, heated 15 h. at 160°, the mixture treated with 150 mL. AcOH and 36% HCl, and refluxed 24 h., give 81% 2-phenanthreneacetic acid, m. 187-8° the 3-isomer m. 174-5°, 84% (Me ester, b1.5 203-5°, 89%). 8-(Bromomethyl)quinoline (120 g.) in 250 mL. warm EtOH, added (0.5 h.) to 50 g. KCN in 100 mL. warm H2O and the mixture refluxed 1.5 h., gives 78% 8-(cyanomethyl)quinoline, m. 86-7°; hydrolysis with aqueous alc. KOH and esterification give 91% Et 8-quinolineacetate, b3 158-60°. Et 3-quinolinecarboxylate (70 g.), 62 g. AcOEt, and EtONa (12 g. Na and 0.52 mol absolute EtOH) in 100 cc. dry C6H6, refluxed 20 h., the cooled solution poured onto ice, diluted to 5 l. with H2O, treated with 50 mL. 12 N NaOH, washed with two 300 mL. portions of ether, and the aqueous solution neutralized with dilute H2SO4 and extracted with two 500-mL. portions of ether, give 75% Et 3-quinolylformylacetate, m. 84° 27 g. of the keto ester in 125 g. 25% H2SO4, heated 30 min. at 100°, gives 95% 3-acetylquinoline (V). V (7 g.), 5 g. S, 50 mL. (NH4)2S, and 25 mL. H2O, heated 20 h. at 145-50°, the residue extracted with two 300-mL. portions boiling 5% HCl, the solution refluxed 3 h., and the crude acid esterified, give 19% Et 3-quinolineacetate, b2.5 140-2°. pH2NC6H4CH2CO2H (46 g.), 10.5 g. FeSO4, 115 g. C3H5(OH)3, 23 g. PhNO2, and 53 mL. concentrated H2SO4, boiled 5 h., give 37 g. crude acid which, esterified with EtOH and HCl, gives 39% Et 6-quinolineacetate, b3 160° the free acid (VI) m. 218-20°. Et 6-quinolinecarboxylate and AcOEt, condensed with EtONa, give 87% Et 6-quinolineacetate, hydrolysis of which with 25% H2SO4 at 100° gives 90% 6-acetylquinoline, m. 76° the Willgerodt reaction gives 87.5% VI. 3,4 O2N(H2N)C6H3CO2H (108 g.) in 350 mL. concentrated HCl, treated with 125 g. Sn in portions (temperature below 90°), gives 87% (3,4-diaminophenyl)acetic acid-2HCl (VII), m. 222-4° (decomposition); Et ester-2HCl (VIII), m. 185-7° (decomposition); 3 g. VII and 20 mL. 98-100% HCO2H, heated several hrs., give 100% 5-benzimidazoleacetic acid-HCl, m. 240-2° the Et ester m. 65-6°, 75%. VIII (14 g.) in 200 mL. ice H2O, treated with excess COCl2, gives 95% Et 2-hydroxy-5-benzimidazoleacetate, m. 208-9°. NCCH2CO2Et (113 g.) and 15 g. (HOCH2CH2)3N in 100 mL. absolute EtOH, treated with a slow stream of H2S, the mixture poured after 5 days into ice-H2O, and 38 g. of the resulting oil and 23.1 g. ClCH2Ac in 300 cc. anhydrous ether kept 4 days, give 20.6 g. Et 4-methyl-2-thiazoleacetate, b17 136-9°. Thiaxanthydrol (42 g.), 30 g. CH2(CO2H)2, and 80 mL. C5H5N, heated 2 h. at 60-70° and 2 h. at 90-5° and the liquid poured into 600 mL. 2 N HCl, give 90% 9-thiaxantheneacetic acid, m. 167-8° (Me ester, b2 182-4°). The Ag salt of 2-benzylimidazole (53 g.) and 50 g. BrCH2CO2Et in 200 mL. xylene, refluxed 48 h., give 25.4% of the Et ester, m. 70-70.5°, of 2-benzyl-1-imidazoleacetic acid, m. 173-4°. Me 1-acenaphtheneacetate, b4 176-8°. N-2-Thienylacetyl-DL-valine m. 110-12°. Amides were prepared by heating the Me or Et ester of the various acids with a slight excess of HOCH2CH2NH2 at 100-150° for several hrs.; R in RCH2CONHCH2CH2OH is given, together with S (see part V). 2-C10H7 m. 125-7°, S 1.3; 1-bromo-2-naphthalene m. 155-6°, S 0.5; 6-fluoro-2-naphthalene m. 145-6°, S 1.2; 3-chloro-2-naphthalene m. 150-1°, S 0.3; 6-bromo-2-naphthalene m. 167-8°, S 0.9; 5,6,7,8-tetrahydro-2-naphthalene m. 88-90°, S 0.9; 1-nitro-2-naphthalene m. 154-5°, S 0.9; 6-methoxy-2-naphthalene m. 160°, S 1.1; 1-acenaphthene m. 160°, S 1.1; 9-fluorene m. 127-8°, S 0.7; 2-phenanthrene m. 135-7°, S 0.5; 3-isomer m. 133-5°, S 0.5; 1-pyrrole m. 85-7°, S 0.9; 2-thiophene m. 66-7°, S 1.8; 2-furan oil, S 0.4; 2,6-dihydroxy-5-pyrimidine m. 271-2°, S 1; 2-methyl-4-hydroxy-5-pyrimidine m. 184°, S 0.9; 3,4-methylenedioxyphenyl m. 99-100°, S 1; 2-methyl-4-thiazole m. 93-4°, S 0.85; 4-methyl-2-thiazole m. 80-2°, S 0.9; 2-pyridine m. 93-4°, S 1; 3-isomer m. 94° S 1; 6-methyl-2-pyridine m. 49-50°, S 1; 2-benzyl-1-imidazole m. 177-9°, S 1; 3-quinoline m. 151-2°, S 1; 6-isomer m. 135°, S 1; 8-isomer m. 92-3°, S 1; 2-benzimidazole m. 185-90°, S 1; 5-isomer m. 160-2°, S 1; 2-hydroxy-5-benzimidazole m. 245-6°, S 1; 7-hydroxy-4-coumarin m. 114-16°, S 1; 9-xanthene m. 157-8°, S 0.8; 9-thiaxanthene m. 148-9°, S 0.7; 5-hydantoin m. 160-2°, S 0.9. Only a few of these compounds appeared to be utilized readily by the mold for the formation of new penicillins. Several of the compounds appeared to effect some increase in penicillin yield or to change the differential assay value of the crude penicillin produced in their presence.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Alberino, L. M.; Farrissey, W. J.; Sayigh, A. A. R. researched the compound: 4-Methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxide( cas:707-61-9 ).Safety of 4-Methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxide.They published the article 《Preparation and properties of carbodiimide oligomers》 about this compound( cas:707-61-9 ) in Polymer Preprints (American Chemical Society, Division of Polymer Chemistry). Keywords: carbodiimide oligomer preparation property; phospholene oxide polymerization catalyst; polycarbodiimide oligomer. We’ll tell you more about this compound (cas:707-61-9).

Polycarbodiimides of limited mol. weight were prepared by reacting a difunctional isocyanate, e.g. 4,4′-diisocyanatodiphenylmethane, with a monofunctional isocyanate, e.g. phenyl isocyanate, as terminating agent in the presence of 1-phenyl-3-methyl-2-phospholene-1-oxide [707-61-9] catalyst to give a carbodiimide oligomer [33970-08-0] and CO2. The polymer chains were terminated with end-groups which were equal in thermal stability to the backbone of the polymer. The polymers prepared in the oligomer range having a ratio of equivalents of difunctional to monofunctional isocyanate (r) of 6/1 to 20/1 had mech. properties very nearly equal to those of high mol. weight unterminated polymers. The terminated polymers had a lower melt viscosity than the unterminated polymers and hence a greater ease of processing.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem

Electric Literature of C5H5ClN2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Chloropyridin-3-amine, is researched, Molecular C5H5ClN2, CAS is 22353-34-0, about Boric Acid Catalyzed Direct Amidation between Amino-Azaarenes and Carboxylic Acids. Author is Yun, Fan; Cheng, Chunhui; Zhang, Jing; Li, Jingxuan; Liu, Xia; Xie, Rui; Tang, Pingwah; Yuan, Qipeng.

A novel and facile boric acid-catalyzed direct amidation between amino-azaarene compounds and carboxylic acids was developed. The amidation proceeded cleanly and provided good to excellent yields of the desired amides. Boric acid is a green and inexpensive catalyst. It was also found that N,N,N’,N’-tetramethylpropane-1,3-diamine acted as an additive accelerating this boric acid-catalyzed amidation. A mixed acid anhydride was postulated to be the active intermediate responsible for this successful amidation. This direct amidation was an atom- and step-economical reaction.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The first tryptophan based turn-off chemosensor for Fe2+ ion detection》. Authors are Nagarajan, Rajendran; Vanjare, Balasaheb D.; Hwan Lee, Ki.The article about the compound:H-Trp-OMe.HClcas:7524-52-9,SMILESS:N[C@@H](CC1=CNC2=CC=CC=C12)C(OC)=O.[H]Cl).Application of 7524-52-9. Through the article, more information about this compound (cas:7524-52-9) is conveyed.

In this research work, we have designed and synthesized a novel Tryptophan-Quinoline conjugated turn-off chemosensor 4 (I) for the selective detection of Fe2+ ion with high sensitivity (3.06 μM) among 21 metal cations such as Ag+, Ca+, Cs+, Cu+, K+, Na+, NH+4, Ba2+, Ca2+, Cd2+, Co2+, Cu2+, Mn2+, Ni2+, Pb2+, Zn2+, Al3+, Au3+, Cr3+ and Fe3+ in DMF-HEPES (1 mM, pH = 7.0, 1:1, volume/volume) aqueous-organic solvent system. It showed a fluorescence quenching mechanism through the blocked PET process. The optical properties, binding mode of the metal ion with the receptor, plausible electron transfer mechanism, and its practical applications have been discussed. This work will open up a new avenue in amino acid-based Fe2+ ion sensors.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 6,7-Dichlorobenzo[d]thiazol-2-amine( cas:25150-27-0 ) is researched.Name: 6,7-Dichlorobenzo[d]thiazol-2-amine.Peters, A. T.; Gbadamosi, N. M. A. published the article 《5,6-(6,7-)dichlorobenzothiazolylazo dyes for synthetic polymer fibers》 about this compound( cas:25150-27-0 ) in Dyes and Pigments. Keywords: chlorobenzothiazole azo dye polyester. Let’s learn more about this compound (cas:25150-27-0).

The synthesis and properties of a series of monoazo dyes derived from an isomer mixture of 5,6-dichloro- and 6,7-dichloro-2-aminobenzothiazoles as the diazo component are reported. By appropriate selection of substituents in the coupling component, dyes varying in hue from orange-red to deep violet can be obtained. Coloration and light-fastness evaluations of the dyes on polyester fiber indicate that they can be viable alternatives to anthraquinone-based dyes of similar hue.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem

Formula: C7H6FNO2. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: Methyl 5-fluoro-3-pyridinecarboxylate, is researched, Molecular C7H6FNO2, CAS is 455-70-9, about A predictive model for additions to N-alkyl pyridiniums. Author is Knight, Brian J.; Tolchin, Zachary A.; Smith, Joel M..

Disclosed in this communication is a thorough study on the dearomative addition of organomagnesium nucleophiles to N-alkyl pyridinium electrophiles. The regiochem. outcomes have observable and predictable trends associated with the substituent patterns on the pyridinium electrophile. Often, the substituent effects can be either additive, giving high selectivities, or ablative, giving competing outcomes. Addnl., the nature of the organometallic nucleophilic component was also investigated for its role in the regioselective outcome. The effects of either reactive component are important to both the overall reactivity and site of nucleophilic addition The utility of these observed trends is demonstrated in a concise, dearomative synthesis of a tricyclic compound shown to have insecticidal activity.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Ikai, Koichi; Iida, Akihito; Yamashita, Mitsuji researched the compound: 4-Methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxide( cas:707-61-9 ).Related Products of 707-61-9.They published the article 《Phospho sugars; novel preparation and their glycosyl compounds》 about this compound( cas:707-61-9 ) in Synthesis. Keywords: phospho sugar; phospholene oxide conversion phospho sugar; glycosyl phospho sugar. We’ll tell you more about this compound (cas:707-61-9).

Treatment of 1-phenyl-2-, and -3-phospholene 1-oxides with NBS affords 4-bromo-1-phenyl-2-phospholene 1-oxide (I). Substitution of the bromide with acetate, followed by stereoselective oxidation with osmium tetroxide and peracetylation with acetic anhydride/pyridine affords phospho sugar derivatives II of tetrafuranose. Furthermore, glycosyl compounds III (R = iodo, OAc, SCN, N3) of phospho sugars were prepared from 3-methyl-1-phenyl-2-phospholene 1-oxide by bromination and nucleophilic substitution reactions.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 1265884-98-7, is researched, SMILESS is N1(P2OC3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5O2)C7=CC=CC=C7C=CC8=CC=CC=C81, Molecular C34H22NO2PJournal, Article, Research Support, Non-U.S. Gov’t, Organic Letters called Copper-Catalyzed Asymmetric Hydroboration of α-Dehydroamino Acid Derivatives: Facile Synthesis of Chiral β-Hydroxy-α-amino Acids, Author is He, Zhi-Tao; Zhao, Yi-Shuang; Tian, Ping; Wang, Chuan-Chuan; Dong, Han-Qing; Lin, Guo-Qiang, the main research direction is dehydroamino acid preparation asym hydroboration copper catalyst; hydroxy amino acid asym preparation.Product Details of 1265884-98-7.

The Cu-catalyzed asym. conjugate hydroboration reaction of β-substituted α-dehydroamino acid derivatives has been established, affording enantio-enriched syn- and anti-β-boronate-α-amino acid derivatives with excellent combined yields (83-99%, dr ≈ 1:1) and excellent enantioselectivities (92-98% ee). The hydroboration products were expediently converted into valuable β-hydroxy-α-amino acid derivatives, which were widely used in the preparation of chiral drugs and bioactive mols.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem

Safety of 4-Methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxide. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 4-Methyl-1-phenyl-2,3-dihydro-1H-phosphole 1-oxide, is researched, Molecular C11H13OP, CAS is 707-61-9, about Synthesis of Nitrogen-Containing Heterocycles and Cyclopentenone Derivatives via Phosphine-Catalyzed Michael Addition/Intramolecular Wittig Reaction. Author is Saleh, Nidal; Blanchard, Florent; Voituriez, Arnaud.

The phosphine-catalyzed Michael addition/intramol. Wittig reaction between dialkyl acetylenedicarboxylate and amino carboxaldehyde or amino ester has been developed. This reaction can be rendered catalytic in phosphine by the in situ chemoselective reduction of the phosphine oxide with a silane. This methodol. enables rapid access to a variety of nitrogen-containing heterocycles, which are present in numerous natural products and/or bioactive compounds Either classical heating or microwave conditions give access to the desired products in good yields (15 examples, 60-99% yields). This catalytic methodol. is further applicable to the synthesis of enantioenriched 1H-pyrrole derivatives, with the use of chiral phosphines. Finally, the reaction is extended to the synthesis of a polysubstituted cyclopentenone, starting from butane-2,3-dione as substrate.

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Reference:
1,3-Benzodioxole – Wikipedia,
Dioxole | C3H4O2 – PubChem